0 B10R1.13 B(c1ccc(cc1)Br)(O)O LS10182 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.13 B(c1ccc(cc1)C)(O)O LS00088 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.13 B(c1ccc(cc1)Cl)(O)O LS00091 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.13 B(c1ccc(cc1)F)(O)O LS00090 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.13 B(c1ccc(cc1)I)(O)O LS10893 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.13 B(c1ccc(cc1)N)(O)O LS10039 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.13 B(c1ccc(cc1)O)(O)O LS10892 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.13 B(c1ccc(cc1)S)(O)O LS00089 [0,0,0,0,0,0|1,1,1]=3 8 B10R1.13 B(c1ccc(nc1)Br)(O)O LS11091 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 B(c1ccc(nc1)C)(O)O LS11103 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 B(c1ccc(nc1)Cl)(O)O LS11095 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.13 B(c1ccc(nc1)F)(O)O LS20294 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 B(c1ccc(nc1)N)(O)O LS21229 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.13 CN(C)c1ccc(cc1)Br LS10693 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.13 CN(C)c1ccc(cc1)Cl LS10239 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.13 Cc1ncc(cn1)C(=O)C LS20101 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.13 Cc1ncc(cn1)C(=O)O LS20220 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.13 c1c(cnc(n1)Cl)C(=O)O LS21033 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.13 c1c(cnc(n1)N)C(=O)O LS20168 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.13 c1c(ncc(n1)Cl)C(=O)O LS20205 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.13 c1c(ncc(n1)O)C(=O)O LS20206 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] LS10622 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl LS10621 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.13 c1cc(ncc1Br)C(=O)O LS20244 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.13 c1cc(ncc1C(=O)O)Cl LS20664 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.13 c1cc(ncc1C(=O)O)N LS20730 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br LS20528 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl LS20540 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.13 c1cc(ncc1[N+](=O)[O-])F LS20769 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.13 c1cc(ncc1[N+](=O)[O-])N LS20477 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.13 c1cc(ncc1[N+](=O)[O-])O LS20531 [0,0,0,0,0,0|2,0,1]=3 42 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.1 CCc1ccc(cc1)F LS11765 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.1 COc1ccc(cc1)O LS10474 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.1 COc1ccc(cc1)S LS11831 [1,0,0,0,0,0|2,1,0]=4 47 B9R1.1 Cc1ccc(cc1)C#C LS10578 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.1 Cc1ccc(cc1)CBr LS11264 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.1 Cc1ccc(cc1)CN LS11220 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.1 Cc1ccc(cc1)CO LS11273 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.1 c1cc(ccc1C#N)Br LS11574 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 c1cc(ccc1C#N)F LS10440 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.1 c1cc(ccc1C#N)N LS10115 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.1 c1cc(ccc1CBr)Br LS11427 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.1 c1cc(ccc1CBr)F LS10228 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.1 c1cc(ccc1CBr)I LS11269 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.1 c1cc(ccc1CO)I LS11275 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.1 c1cc(ccc1CO)N LS10779 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.1 c1cc(ccc1NN)F LS10358 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.1 c1cc(ncc1Br)C=O LS20518 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.1 c1cc(ncc1Br)CO LS20572 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.1 c1cc(ncc1C=O)Br LS20544 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.1 c1cc(ncc1C=O)Cl LS20242 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.1 c1cc(ncc1CO)N LS40930 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.1 c1cc(ncc1Cl)C=O LS20775 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.6 B(c1ccccc1)(O)O LS00011 [1,0,0,0,0,0|1,0,1]=3 69 B9R1.6 B(c1cccnc1)(O)O LS20190 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.6 B(c1ccncc1)(O)O LS20393 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.6 CC(=O)c1cccnc1 LS20960 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.6 C[C@H](c1ccccc1)N LS30099 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.6 c1cc(cnc1)C(=S)N LS40686 [1,0,0,0,0,0|2,1,0]=4 75 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [1,0,0,0,0,0|0,0,0]=1 77 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [1,0,0,0,0,0|1,1,0]=3 78 B9R1.6 c1ccnc(c1)C(=N)N LS21180 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.6 c1cnc(nc1)C(=O)O LS20267 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.6 c1cncnc1C(=O)O LS20389 [1,0,0,0,0,0|2,0,0]=3 82 B11R1.3 B(c1ccc(cc1)C#N)(O)O LS00153 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.3 B(c1ccc(cc1)C=O)(O)O LS00096 [0,1,0,0,0,0|1,0,2]=4 84 B11R1.3 B(c1ccc(cc1)CBr)(O)O LS10869 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.3 B(c1ccc(cc1)CC)(O)O LS10888 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.3 B(c1ccc(cc1)CO)(O)O LS10891 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.3 B(c1ccc(cc1)OC)(O)O LS10897 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.3 B(c1ccc(cc1)SC)(O)O LS10900 [0,1,0,0,0,0|1,1,1]=4 89 B11R1.3 B(c1ccc(nc1)OC)(O)O LS11100 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.3 CC(=C)c1ccc(cc1)OC LS10061 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.3 CC(=O)c1ccc(nc1)OC LS20033 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.3 CN(C)c1ccc(cc1)OC LS10085 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] LS11522 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.3 COc1ccc(cc1)C(=O)O LS11457 [0,1,0,0,0,0|0,0,0]=1 95 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] LS20663 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.3 C[C@@H](c1ccc(cc1)OC)N LS30183 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.3 C[C@H](c1ccc(cc1)OC)N LS30182 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.3 c1cc(ccc1C=O)C(=O)O LS10649 [0,1,0,0,0,0|0,0,1]=2 99 B11R1.3 c1cc(ccc1CCl)C(=O)O LS11536 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] LS10721 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.19 CC(C)(c1ccc(cc1)Br)O LS11332 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O LS30073 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O LS30074 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] LS40936 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.19 c1cc(ccc1C(F)(F)F)O LS10322 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.19 c1cc(ccc1O)S(=O)(=O)O LS10671 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] LS40551 [0,1,0,0,0,0|1,0,1]=3 108 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] LS40552 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.19 c1cc(ccc1S(=O)(=O)O)Cl LS10688 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.21 B(c1ccc(c(c1)C)C)(O)O LS10947 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.21 B(c1ccc(c(c1)C)F)(O)O LS11041 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O LS11005 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.21 B(c1ccc(c(c1)Cl)Cl)(O)O LS10944 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.21 B(c1ccc(c(c1)Cl)F)(O)O LS11001 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.21 B(c1ccc(c(c1)Cl)O)(O)O LS11002 [0,1,0,0,0,0|1,0,1]=3 116 B11R1.21 B(c1ccc(c(c1)F)C)(O)O LS11014 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.21 B(c1ccc(c(c1)F)Cl)(O)O LS11032 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.21 B(c1ccc(c(c1)F)F)(O)O LS10945 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.21 B(c1ccc(c(c1)N)C)(O)O LS10990 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.21 B(c1ccc(c(c1)N)F)(O)O LS10989 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.21 Cc1cc(ccc1F)[N+](=O)[O-] LS10563 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.21 Cc1cc(ccc1N)[N+](=O)[O-] LS10652 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.21 Cc1ccc(cc1Br)C(=O)O LS10330 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] LS10327 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.21 Cc1ccc(cc1Cl)C(=O)O LS10663 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.21 Cc1ccc(cc1F)C(=O)O LS10532 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] LS10437 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.21 c1cc(c(cc1C(=O)O)F)F LS11167 [0,1,0,0,0,0|1,0,0]=2 129 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F LS11168 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)F LS11373 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)Cl LS11567 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)Cl LS10013 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.21 c1cc(c(cc1[N+](=O)[O-])I)N LS10036 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Cl LS10712 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)Cl LS10723 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)F LS10316 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.22 COC(=O)c1ccc(nc1)Cl LS20217 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.22 COC(=O)c1ccc(nc1)N LS20441 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.22 COC(=O)c1cnc(nc1)Cl LS20786 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.22 Cc1ccc(cn1)C(=O)OC LS20731 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.22 c1cc(ccc1C(=O)CN)Br LS11597 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.22 c1cc(ccc1C(=O)NN)Cl LS11767 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.22 c1cc(ccc1C(CN)O)O LS41256 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.166 B(c1ccc(cc1C)C)(O)O LS10933 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.166 B(c1ccc(cc1C)Cl)(O)O LS11030 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.166 B(c1ccc(cc1C)F)(O)O LS11036 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.166 B(c1ccc(cc1C)O)(O)O LS11044 [0,1,0,0,0,0|1,0,1]=3 148 B11R1.166 B(c1ccc(cc1Cl)C)(O)O LS11410 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.166 B(c1ccc(cc1Cl)Cl)(O)O LS10929 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.166 B(c1ccc(cc1Cl)F)(O)O LS10970 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.166 B(c1ccc(cc1F)Br)(O)O LS11028 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.166 B(c1ccc(cc1F)C)(O)O LS10981 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.166 B(c1ccc(cc1F)Cl)(O)O LS10243 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.166 B(c1ccc(cc1F)F)(O)O LS10930 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.166 CC(=O)c1ccc(cc1Cl)Br LS10361 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.166 CC(=O)c1ccc(cc1F)Cl LS10306 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.166 CC(=O)c1ccc(cc1O)F LS10126 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.166 Cc1c(ccc(n1)O)[N+](=O)[O-] LS20738 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.166 Cc1cc(ccc1C(=O)O)F LS10581 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.166 Cc1cc(ccc1C(C)C)O LS10720 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F LS11421 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.166 Cc1cc(ncc1[N+](=O)[O-])O LS20746 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.166 Cc1ccc(c(c1)F)C(=O)O LS10521 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] LS10436 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O LS20787 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.166 c1c(c(=O)[nH]c(=O)[nH]1)C(=O)O LS20799 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br LS20021 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O LS10326 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O LS10346 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.166 c1cc(c(cc1Br)F)C(=O)O LS10691 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.166 c1cc(c(cc1Br)F)[N+](=O)[O-] LS10479 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.166 c1cc(c(cc1Br)N)C(=O)O LS11470 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O LS10673 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.166 c1cc(c(cc1Cl)F)[N+](=O)[O-] LS00111 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N LS10587 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O LS11433 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O LS10716 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] LS10299 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.166 c1cc(c(cc1F)Cl)[N+](=O)[O-] LS10294 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] LS11163 [0,1,0,0,0,0|1,0,1]=3 181 B11R1.166 c1cc(c(cc1F)N)C(=O)O LS10234 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] LS10279 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.166 c1cc(c(cc1F)O)C(=O)O LS11396 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.166 c1cc(c(cc1N)Br)[N+](=O)[O-] LS10292 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O LS10725 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.166 c1cc(c(cc1N)F)[N+](=O)[O-] LS10280 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.166 c1cc(c(cc1O)Cl)C(=O)O LS11739 [0,1,0,0,0,0|0,0,0]=1 188 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] LS00120 [0,1,0,0,0,0|1,0,1]=3 189 B11R1.166 c1cc(c(cc1O)I)[N+](=O)[O-] LS10155 [0,1,0,0,0,0|1,0,1]=3 190 B11R1.166 c1cc(c(cc1O)O)C(=O)N LS10714 [0,1,0,0,0,0|1,0,0]=2 191 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl LS20515 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.166 c1cc(nc(c1[N+](=O)[O-])Cl)O LS20715 [0,1,0,0,0,0|2,0,1]=4 193 B9R1.35 Cc1cc([nH]n1)C(=O)O LS20817 [0,0,0,0,1,0|3,0,0]=4 194 B9R1.35 Cc1cc(n[nH]1)C(=O)O LS20295 [0,0,0,0,1,0|3,0,0]=4 195 B9R1.35 Cc1ccc(s1)C(=O)O LS20662 [0,0,0,0,1,0|2,0,0]=3 196 B9R1.35 Cc1ncc(s1)C(=O)O LS21069 [0,0,0,0,1,0|3,0,0]=4 197 B9R1.35 c1c(csc1C(=O)O)Br LS20661 [0,0,0,0,1,0|2,0,0]=3 198 B9R1.35 c1c(sc(n1)Br)C(=O)O LS21091 [0,0,0,0,1,0|3,0,0]=4 199 B9R1.35 c1cc(sc1C(=O)O)Br LS20297 [0,0,0,0,1,0|2,0,0]=3 200 B9R1.35 c1cc(sc1C(=O)O)Cl LS20472 [0,0,0,0,1,0|2,0,0]=3 201 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [0,0,0,0,0,1|2,0,0]=3 202 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [0,0,0,0,0,1|2,0,0]=3 203 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [0,0,0,0,0,1|2,0,0]=3 204 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [0,0,0,0,0,1|2,0,0]=3 205 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [0,0,0,0,0,1|2,0,0]=3 206 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [0,0,0,0,0,1|2,0,0]=3 207 B11R1.20 c1cc(ccc1CC(=O)N)O LS11370 [0,0,0,0,0,1|1,0,0]=2 208 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [0,0,0,0,0,1|1,0,0]=2 209 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [0,0,0,0,0,1|0,0,0]=1 210 B8R1.2 C#Cc1ccccc1 LS10701 [2,0,0,0,0,0|1,0,1]=4 211 B8R1.2 c1cc(cnc1)C=O LS20485 [2,0,0,0,0,0|1,0,0]=3 212 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|0,0,0]=2 213 B8R1.2 c1ccc(cc1)CO LS41488 [2,0,0,0,0,0|0,0,1]=3 214 B8R1.2 c1cnccc1C=O LS20943 [2,0,0,0,0,0|1,0,0]=3 215 B8R1.3 C1=CC(=O)C=CC1=O LS41078 [2,0,0,0,0,0|0,0,1]=3 216 B8R1.3 Cc1ccc(cc1)Cl LS11416 [2,0,0,0,0,0|1,0,1]=4 217 B8R1.3 c1cc(=O)[nH]cc1Br LS21018 [2,0,0,0,0,0|2,0,0]=4 218 B8R1.3 c1cc(ccc1Br)I LS11203 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.3 c1cc(ccc1F)F LS11211 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.3 c1cc(ccc1N)Br LS11446 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.3 c1cc(ccc1N)I LS11481 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.3 c1cc(ccc1O)Br LS11445 [2,0,0,0,0,0|1,0,0]=3 223 B8R1.3 c1cc(ccc1O)F LS10647 [2,0,0,0,0,0|1,0,0]=3 224 B8R1.3 c1cc(ccc1O)I LS10366 [2,0,0,0,0,0|1,0,0]=3 225 B8R1.3 c1cc(ncc1F)O LS20722 [2,0,0,0,0,0|2,0,0]=4 226 B8R1.3 c1cc(ncc1N)O LS20334 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.3 c1cc(ncc1O)F LS20343 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.3 c1cc(ncc1O)N LS20718 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.1 Cc1ccc(cc1)CCO LS11239 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.1 c1cc(ccc1CCN)O LS11714 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.1 c1cc(ccc1CCO)Br LS11249 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.1 c1cc(ccc1CCO)F LS11241 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.25 COc1ccc(cc1F)O LS10467 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.25 Cc1cc(ccc1C=O)F LS10500 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.25 Cc1cc(ccc1C=O)O LS11394 [1,1,0,0,0,0|0,0,0]=2 237 B10R1.25 c1cc(c(cc1Br)Br)CO LS11326 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.25 c1cc(c(cc1Br)F)C=O LS10657 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.25 c1cc(c(cc1Br)O)C=O LS10088 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.25 c1cc(c(cc1Cl)Br)C=O LS10197 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.25 c1cc(c(cc1Cl)F)C=O LS10509 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.25 c1cc(c(cc1Cl)O)C=O LS11382 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.25 c1cc(c(cc1F)Br)C=O LS10393 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.25 c1cc(c(cc1F)Cl)C=O LS11829 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.25 c1cc(c(cc1F)O)C=O LS10219 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.25 c1cc(c(cc1O)Cl)C#N LS10262 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.25 c1cc(c(cc1O)Cl)C=O LS11740 [1,1,0,0,0,0|0,0,0]=2 248 B10R1.176 Cc1ccc(cc1C)C=O LS11363 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.176 c1cc(c(cc1C#N)O)O LS11705 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.176 c1cc(c(cc1C=O)Br)O LS10334 [1,1,0,0,0,0|0,0,0]=2 251 B10R1.176 c1cc(c(cc1C=O)Cl)F LS10516 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.176 c1cc(c(cc1C=O)Cl)O LS11734 [1,1,0,0,0,0|0,0,0]=2 253 B10R1.176 c1cc(c(cc1C=O)F)O LS10506 [1,1,0,0,0,0|0,0,0]=2 254 B10R1.176 c1cc(c(cc1C=O)I)F LS10241 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.176 c1cc(c(cc1C=O)O)Br LS10136 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.176 c1cc(c(cc1C=O)O)O LS10200 [1,1,0,0,0,0|0,0,0]=2 257 B10R1.15 COC(=O)c1cccnc1 LS20584 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [1,1,0,0,0,0|0,0,0]=2 261 B10R1.15 c1ccc(cc1)[C@@H](CO)N LS30212 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.15 c1ccc(cc1)[C@@H](CO)O LS30263 [1,1,0,0,0,0|0,0,2]=4 263 B10R1.15 c1ccc(cc1)[C@H](CO)N LS30213 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.15 c1ccc(cc1)[C@H](CO)O LS30264 [1,1,0,0,0,0|0,0,2]=4 265 B10R1.28 CC(C)(c1ccccc1)O LS11531 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl LS40262 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.28 c1ccc(cc1)S(=O)(=O)O LS10672 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] LS40553 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.61 B(c1ccccc1Br)(O)O LS10792 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.61 B(c1ccccc1C)(O)O LS10802 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.61 B(c1ccccc1Cl)(O)O LS00151 [1,1,0,0,0,0|1,0,1]=4 272 B10R1.61 B(c1ccccc1F)(O)O LS10797 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.61 B(c1ccccc1N)(O)O LS10787 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.61 B(c1ccccc1O)(O)O LS10799 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.61 CC(=O)c1ccccc1N LS10731 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.61 CC(=O)c1ccccc1O LS10607 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.61 Cc1c(cccn1)C(=O)N LS20770 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.61 Cc1c(cncn1)C(=O)O LS20826 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.61 Cc1ccccc1C(=O)O LS10119 [1,1,0,0,0,0|0,0,0]=2 283 B10R1.61 Cc1cccnc1C(=O)O LS20983 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.61 c1cc(c(nc1)Br)C(=O)O LS20396 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.61 c1cc(c(nc1)Cl)C(=O)O LS20665 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.61 c1cc(c(nc1)O)C(=O)O LS20423 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [1,1,0,0,0,0|0,0,0]=2 293 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [1,1,0,0,0,0|0,0,0]=2 294 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [1,1,0,0,0,0|0,0,0]=2 295 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] LS11572 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br LS11477 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I LS11476 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.61 c1cnc(c(n1)C(=O)O)O LS20287 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.61 c1cncc(c1C(=O)O)Br LS20726 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.61 c1cncc(c1C(=O)O)F LS20409 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.61 c1cncc(c1C(=O)O)O LS20035 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.61 c1cncc(c1Cl)C(=O)O LS20834 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.113 B(c1cccc(c1)Br)(O)O LS10826 [1,1,0,0,0,0|1,0,1]=4 305 B10R1.113 B(c1cccc(c1)C)(O)O LS10847 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.113 B(c1cccc(c1)Cl)(O)O LS00152 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.113 B(c1cccc(c1)F)(O)O LS10837 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.113 B(c1cccc(c1)N)(O)O LS10820 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.113 B(c1cccc(c1)N)(O)O LS10821 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.113 B(c1cccc(c1)N)(O)O LS11541 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.113 B(c1cccc(c1)O)(O)O LS10839 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.113 B(c1cccc(c1)S)(O)O LS10841 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.113 CC(=O)c1cccc(n1)Br LS20488 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.113 c1c(cncc1Br)C(=O)O LS20729 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.113 c1c(cncc1Cl)C(=O)O LS20728 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.113 c1c(cncc1N)C(=O)O LS20110 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.113 c1c(cncc1O)C(=O)O LS20727 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.113 c1c(nc(cn1)Cl)C(=O)O LS20459 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.113 c1c(ncnc1O)C(=O)O LS20104 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.113 c1cc(cc(c1)Br)C(=N)N LS10543 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] LS11800 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.113 c1cc(nc(c1)Br)C(=O)O LS20438 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.113 c1cc(nc(c1)Cl)C(=O)O LS20264 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.113 c1cnc(cc1C(=O)O)Br LS20245 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.113 c1cnc(cc1C(=O)O)Cl LS20583 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.113 c1cnc(cc1C(=O)O)F LS20410 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.113 c1cnc(cc1C(=O)O)N LS20627 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.113 c1cnc(cc1C(=O)O)O LS20483 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.113 c1cnc(cc1Cl)C(=O)N LS20263 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.113 c1cnc(nc1C(=O)O)Cl LS20776 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.14 COC(=O)c1cc(c[nH]1)Br LS20815 [0,1,0,0,1,0|2,0,0]=4 334 B12R1.4 CC(=O)Oc1ccc(cc1)C=C LS00144 [0,1,0,0,0,1|2,0,0]=4 335 B12R1.4 CCc1ccc(cc1)CC(=O)C LS10066 [0,1,0,0,0,1|2,0,0]=4 336 B12R1.4 COc1ccc(cc1)CC(=O)O LS11415 [0,1,0,0,0,1|0,0,0]=2 337 B12R1.4 c1cc(ccc1CC(=O)O)CBr LS11535 [0,1,0,0,0,1|1,0,0]=3 338 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl LS11794 [0,1,0,0,0,1|2,0,0]=4 339 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F LS10301 [0,1,0,0,0,1|1,0,0]=3 340 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl LS10023 [0,1,0,0,0,1|1,0,0]=3 341 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O LS11529 [0,1,0,0,0,1|1,0,0]=3 342 B12R1.5 COC(=O)c1ccc(cc1)C#C LS10765 [0,2,0,0,0,0|1,0,0]=3 343 B12R1.5 COC(=O)c1ccc(cc1)CBr LS10680 [0,2,0,0,0,0|1,0,0]=3 344 B12R1.5 COc1ccc(cc1)C(=O)CBr LS11455 [0,2,0,0,0,0|1,0,0]=3 345 B12R1.5 c1cc(ccc1C#N)C(=O)CBr LS11692 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.6 CC(C)(c1ccc(cc1)OC)O LS10171 [0,2,0,0,0,0|1,0,1]=4 347 B12R1.6 COc1ccc(cc1)S(=O)(=O)Cl LS10598 [0,2,0,0,0,0|1,0,1]=4 348 B12R1.6 c1cc(ccc1NN)S(=O)(=O)O LS11407 [0,2,0,0,0,0|2,0,0]=4 349 B12R1.48 B(c1ccc(c(c1)Cl)OC)(O)O LS11004 [0,2,0,0,0,0|1,0,1]=4 350 B12R1.48 B(c1ccc(c(c1)F)OC)(O)O LS10758 [0,2,0,0,0,0|1,0,1]=4 351 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl LS20068 [0,2,0,0,0,0|1,0,0]=3 352 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] LS10761 [0,2,0,0,0,0|1,0,1]=4 353 B12R1.48 COc1ccc(cc1N)C(=O)O LS11205 [0,2,0,0,0,0|0,0,0]=2 354 B12R1.48 Cc1cc(ccc1C#N)C(=O)O LS00053 [0,2,0,0,0,0|1,0,0]=3 355 B12R1.48 Cc1cc(ccc1OC)[N+](=O)[O-] LS10772 [0,2,0,0,0,0|1,0,1]=4 356 B12R1.113 B(c1ccc(cc1)COC)(O)O LS10896 [0,2,0,0,0,0|1,0,1]=4 357 B12R1.113 B(c1ccc(cc1)OCC)(O)O LS10887 [0,2,0,0,0,0|1,0,1]=4 358 B12R1.113 c1cc(ccc1CCO)[N+](=O)[O-] LS10575 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.256 B(c1ccc(cc1)B(O)O)(O)O LS10921 [0,2,0,0,0,0|1,0,1]=4 360 B12R1.256 B(c1ccc(cc1)C(=O)C)(O)O LS10863 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.256 B(c1ccc(cc1)C(=O)Cl)(O)O LS10880 [0,2,0,0,0,0|1,0,0]=3 362 B12R1.256 B(c1ccc(cc1)C(=O)N)(O)O LS10913 [0,2,0,0,0,0|1,0,0]=3 363 B12R1.256 B(c1ccc(cc1)C(=O)O)(O)O LS10877 [0,2,0,0,0,0|0,0,0]=2 364 B12R1.256 B(c1ccc(cc1)[N+](=O)[O-])(O)O LS10031 [0,2,0,0,0,0|1,0,1]=4 365 B12R1.256 c1cc(ccc1C(=O)N)[N+](=O)[O-] LS10641 [0,2,0,0,0,0|1,0,1]=4 366 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] LS10118 [0,2,0,0,0,0|0,0,1]=3 367 B12R1.452 B(c1ccc(cc1Cl)OC)(O)O LS10757 [0,2,0,0,0,0|1,0,1]=4 368 B12R1.452 B(c1ccc(cc1F)OC)(O)O LS10980 [0,2,0,0,0,0|1,0,1]=4 369 B12R1.452 CC(=O)c1ccc(cc1F)OC LS11613 [0,2,0,0,0,0|1,0,0]=3 370 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O LS11741 [0,2,0,0,0,0|0,0,0]=2 371 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] LS10312 [0,2,0,0,0,0|1,0,1]=4 372 B12R1.452 COc1ccc(c(c1)N)C(=O)O LS10553 [0,2,0,0,0,0|0,0,0]=2 373 B12R1.452 c1cc(c(cc1C#N)F)C(=O)O LS11606 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.56 COc1cc(ccc1N)C(=O)O LS11388 [0,2,0,0,0,0|1,0,0]=3 375 B12R1.56 c1cc(c(cc1[N+](=O)[O-])C=O)O LS10588 [0,2,0,0,0,0|1,0,1]=4 376 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O LS10525 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)O LS10528 [0,2,0,0,0,0|1,0,0]=3 378 B12R1.232 Cc1cc(c(cc1F)C(=O)O)Br LS10526 [0,2,0,0,0,0|1,0,0]=3 379 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O LS10201 [0,2,0,0,0,0|1,0,0]=3 380 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O LS11501 [0,2,0,0,0,0|1,0,0]=3 381 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O LS10163 [0,2,0,0,0,0|0,0,0]=2 382 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O LS10030 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O LS10529 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O LS10531 [0,2,0,0,0,0|1,0,0]=3 385 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O LS11174 [0,2,0,0,0,0|1,0,0]=3 386 B12R1.367 COC(=O)c1ccc(c(c1)Br)I LS11500 [0,2,0,0,0,0|1,0,0]=3 387 B12R1.367 COC(=O)c1ccc(c(c1)Br)O LS11732 [0,2,0,0,0,0|0,0,0]=2 388 B12R1.367 Cc1ccc(cc1I)C(=O)OC LS10763 [0,2,0,0,0,0|1,0,0]=3 389 B12R1.367 c1cc(c(cc1C(=O)CCl)F)F LS10703 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)F LS10246 [0,2,0,0,0,0|1,0,0]=3 391 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br LS10244 [0,2,0,0,0,0|1,0,0]=3 392 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F LS11172 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.893 c1cc(c(c(c1C(=O)O)F)O)F LS10250 [0,2,0,0,0,0|1,0,0]=3 394 B12R1.893 c1cc(c(c(c1C(=O)[O-])F)F)F LS11173 [0,2,0,0,0,0|1,0,1]=4 395 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)N)Cl LS11770 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.1005 Cc1c(cc(cc1F)C(=O)O)O LS10270 [0,2,0,0,0,0|1,0,0]=3 397 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)O LS70017 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.1005 c1c(cc(c(c1Br)O)Br)C(=O)O LS11723 [0,2,0,0,0,0|0,0,0]=2 399 B12R1.1005 c1c(cc(c(c1N)Cl)Cl)C(=O)O LS10082 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.16 CNCC(c1ccc(cc1)O)O LS41251 [0,2,0,0,0,0|1,0,1]=4 401 B12R1.16 c1cc(ccc1C(=O)CC#N)F LS10157 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.1703 COC(=O)c1ccc(cc1F)Br LS11210 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.1703 COC(=O)c1ccc(cc1F)F LS11835 [0,2,0,0,0,0|1,0,0]=3 404 B12R1.1703 COC(=O)c1ccc(cc1O)O LS10726 [0,2,0,0,0,0|0,0,0]=2 405 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br LS20025 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.57 COc1cc(ccc1C(=O)O)F LS10248 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)F LS11309 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.1000 Cc1cc(cc(c1C(=O)O)Br)F LS10527 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.1000 c1c(cc(c(c1Cl)C(=O)Cl)Cl)Cl LS10131 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.1000 c1c(cc(c(c1F)C(=O)O)Cl)Cl LS10075 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Br LS10464 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.1000 c1c(cc(c(c1O)C(=O)O)O)O LS11467 [0,2,0,0,0,0|0,0,0]=2 413 B12R1.1000 c1c(cc(c(c1O)C(=O)O)O)O LS11468 [0,2,0,0,0,0|0,0,0]=2 414 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 LS40256 [0,0,0,1,0,1|2,0,0]=4 415 B12R2.606 c1cc2c(cc1F)CC(=O)N2 LS20430 [0,0,0,1,0,1|2,0,0]=4 416 B12R2.606 c1cc2c(cc1F)NC(=O)C2 LS21155 [0,0,0,1,0,1|2,0,0]=4 417 B12R2.606 c1cc2c(cc1O)sc(n2)N LS40043 [0,0,0,1,0,1|1,1,0]=4 418 B12R2.612 c1cc2c(cc1Br)COC2=O LS40024 [0,1,0,1,0,0|1,0,0]=3 419 B12R2.612 c1cc2c(cc1Cl)CCC2=O LS00023 [0,1,0,1,0,0|2,0,0]=4 420 B12R2.612 c1cc2c(cc1Cl)onc2O LS40223 [0,1,0,1,0,0|1,0,1]=4 421 B12R2.612 c1cc2c(cc1F)CCC2=O LS20516 [0,1,0,1,0,0|2,0,0]=4 422 B12R2.612 c1cc2c(cc1O)CCC2=O LS40251 [0,1,0,1,0,0|1,0,0]=3 423 B12R2.612 c1cc2c(cc1O)OCC2=O LS21028 [0,1,0,1,0,0|0,0,0]=2 424 B8R1.1 Cc1ccc(s1)C=O LS20392 [1,0,0,0,1,0|2,0,0]=4 425 B8R1.1 c1c(coc1C=O)Br LS20868 [1,0,0,0,1,0|2,0,0]=4 426 B8R1.1 c1c(csc1C=O)Br LS20660 [1,0,0,0,1,0|2,0,0]=4 427 B8R1.7 CC(=O)c1cccs1 LS20643 [1,0,0,0,1,0|2,0,0]=4 428 B8R1.7 CC(=O)c1ccsc1 LS20391 [1,0,0,0,1,0|2,0,0]=4 429 B8R1.7 c1c(cn[nH]1)C(=O)O LS21130 [1,0,0,0,1,0|2,0,0]=4 430 B8R1.7 c1c(con1)C(=O)O LS20144 [1,0,0,0,1,0|2,0,0]=4 431 B8R1.7 c1c(nc[nH]1)C(=O)O LS20993 [1,0,0,0,1,0|2,0,0]=4 432 B8R1.7 c1c(nco1)C(=O)O LS41294 [1,0,0,0,1,0|2,0,0]=4 433 B8R1.7 c1c(ncs1)C(=O)O LS21061 [1,0,0,0,1,0|2,0,0]=4 434 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [1,0,0,0,1,0|1,0,0]=3 435 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [1,0,0,0,1,0|2,0,0]=4 436 B8R1.7 c1cc(sc1)C(=O)O LS20648 [1,0,0,0,1,0|1,0,0]=3 437 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [1,0,0,0,1,0|1,0,1]=4 438 B8R1.7 c1cnc([nH]1)C(=O)O LS20563 [1,0,0,0,1,0|2,0,0]=4 439 B8R1.7 c1cnoc1C(=O)O LS20280 [1,0,0,0,1,0|2,0,0]=4 440 B8R1.7 c1conc1C(=O)O LS20146 [1,0,0,0,1,0|2,0,0]=4 441 B8R1.7 c1cscc1C(=O)Cl LS20651 [1,0,0,0,1,0|2,0,0]=4 442 B8R1.7 c1cscc1C(=O)O LS20647 [1,0,0,0,1,0|1,0,0]=3 443 B10R1.18 B(Cc1ccccc1)(O)O LS10783 [1,0,0,0,0,1|1,0,1]=4 444 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [1,0,0,0,0,1|2,0,0]=4 445 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [1,0,0,0,0,1|1,0,0]=3 446 B12R1.21 CC(=O)CCc1ccc(cc1)O LS40102 [0,0,0,0,0,2|1,0,0]=3 447 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O LS30305 [0,0,0,0,0,2|0,0,0]=2